Geometry & MOs

Info

ID:	328232
PubChem CID:	126700319
Reduced:	NOC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	776.321926
ΔH_f, kcal/mol:	-55.78
Dipole, Da:	4.31
IP(EA), eV:	-8.49(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[5-(3,4-dimethoxy-N-methylanilino)-1-(4-fluoro-3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]benzamide

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C(=O)N(C=C1C(C)C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C(=O)N(C=C1C(C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):