Geometry & MOs

Info

ID:	138023
PubChem CID:	52301425
Reduced:	O3N4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-69.8
Dipole, Da:	4.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.958728
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-2-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCC3)NC(=O)C

DOS

IR

Vibrations