Geometry & MOs

Info

ID:

181047

PubChem CID:

76715559

Reduced:

S2N5O6C45H53 (1)

Stoich.:

A2B5C6D45E53 (1)

Weight, g/mol:

760.329456

ΔHf, kcal/mol:

-136.49

Dipole, Da:

3.77

IP(EA), eV:

 -8.52(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-18-(2-phenylquinazolin-4-yl)oxy-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=N2)C3=CSC(=N3)NC(C)C)OC4CC5C(=O)CC6(CC6C=CCCCCCC(C(=O)N5C4)CC7=CC=CC=C7)C(=O)NS(=O)(=O)C8CC8

DOS

IR

Vibrations