Geometry & MOs

Info

ID:	309211
PubChem CID:	126540363
Reduced:	N4O4C33H48 (1)
Stoich.:	A4B4C33D48 (1)
Weight, g/mol:	466.31552
ΔH_f, kcal/mol:	-191.09
Dipole, Da:	2.35
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]-N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-4-hydroxypyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)C(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)C(=O)NCC(CC)CCCC

DOS

IR

Vibrations