Geometry & MOs

Info

ID:	147584
PubChem CID:	53787240
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	617.255957
ΔH_f, kcal/mol:	-62.42
Dipole, Da:	3.87
IP(EA), eV:	-9.57(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(5-imidazol-1-yl-2-methylphenyl)-[4-methyl-2-[(4-methylphenoxy)sulfinylamino]pentanoyl]oxymethyl]-3,5-dimethylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(C3=CC=CO3)(C4=CC=CO4)O

DOS

IR

Vibrations