Geometry & MOs

Info

ID:	190203
PubChem CID:	77967923
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	712.325434
ΔH_f, kcal/mol:	-96.25
Dipole, Da:	4.22
IP(EA), eV:	-8.7(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(butan-2-ylsulfonylcarbamoyl)-18-[(3-cyanobenzoyl)amino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(C(=O)CO2)C3CCN(CC3)C4CCC4

DOS

IR

Vibrations