Geometry & MOs

Info

ID:	139989
PubChem CID:	52627462
Reduced:	O3N4C22H31 (1)
Stoich.:	A3B4C22D31 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-68.74
Dipole, Da:	8.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.890909
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-4-methylphenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)C)NC(=O)NC[C@@H](C2=CC(=CC=C2)OC)[NH+](C)C

DOS

IR

Vibrations