Geometry & MOs

Info

ID:	84118
PubChem CID:	49864301
Reduced:	N6O7C20H32 (1)
Stoich.:	A6B7C20D32 (1)
Weight, g/mol:	554.106055
ΔH_f, kcal/mol:	-309.59
Dipole, Da:	5.52
IP(EA), eV:	-8.96(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-N-(4-chlorophenyl)-4-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-1-methylsulfonylpyrrolidine-3,4-dicarboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N.CC(=O)O

DOS

IR

Vibrations