Geometry & MOs

Info

ID:

311932

PubChem CID:

126599411

Reduced:

S2N5C25H33 (1)

Stoich.:

A2B5C25D33 (1)

Weight, g/mol:

750.298174

ΔHf, kcal/mol:

95.73

Dipole, Da:

7.68

IP(EA), eV:

 -8.4(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[5-[5-[5-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thiophen-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCC1=NC=C(N1)C2=CC=C(S2)C3=CC=C(S3)CN=C(CCCCN=C)NC=C

DOS

IR

Vibrations