Geometry & MOs

Info

ID:	330737
PubChem CID:	127248144
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-13.52
Dipole, Da:	6.57
IP(EA), eV:	-9.53(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC(C2)(CC3=CC(=NO3)C4=CC=CC=C4)C(=O)NC

DOS

IR

Vibrations