Geometry & MOs

Info

ID:	180739
PubChem CID:	76679038
Reduced:	O2N3H11C13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	726.435636
ΔH_f, kcal/mol:	20.26
Dipole, Da:	3.97
IP(EA), eV:	-8.97(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-benzyl-2-(6-cyclopropyl-4,5-dioxo-3-propylhexanoyl)pyrrolidine-1-carbonyl]-1-cyclohexyl-5,5-dimethyl-2-oxohexyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2C=CN=C3C2=NC(=O)N3

DOS

IR

Vibrations