Geometry & MOs

Info

ID:

449751

PubChem CID:

135301145

Reduced:

SN4C11H14 (1)

Stoich.:

AB4C11D14 (1)

Weight, g/mol:

748.369681

ΔHf, kcal/mol:

81.56

Dipole, Da:

3.6

IP(EA), eV:

 -8.72(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[[(1S)-1-[6-[4-[2-[1-[[1-[methoxycarbonyl(methyl)amino]cyclopropanecarbonyl]amino]-2,2-dimethylpropyl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]ethyl]carbamoyl]cyclopropyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CN=C(S2)N)CC3CC3

DOS

IR

Vibrations