Geometry & MOs

Info

ID:	129218
PubChem CID:	51071961
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-117.26
Dipole, Da:	6.44
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(furan-2-carbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

DOS

IR

Vibrations