Geometry & MOs

Info

ID:	54409
PubChem CID:	17153674
Reduced:	SO4N5C22H29 (1)
Stoich.:	AB4C5D22E29 (1)
Weight, g/mol:	464.242356
ΔH_f, kcal/mol:	-113.32
Dipole, Da:	9.18
IP(EA), eV:	-9.61(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-oxo-N-[4-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1CC(CC1=O)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)CCOCC

DOS

IR

Vibrations