Geometry & MOs

Info

ID:	330727
PubChem CID:	127248134
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	6.91
IP(EA), eV:	-9.47(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methylimidazol-4-yl)sulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)C(=O)C2=CN(N=C2)C)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations