Geometry & MOs

Info

ID:	323173
PubChem CID:	126673204
Reduced:	OSN2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	409.176834
ΔH_f, kcal/mol:	-50.54
Dipole, Da:	3.13
IP(EA), eV:	-9.2(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(2-amino-4-chlorophenyl)-1-[(2R)-2-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)C3(CCCC(C3)N)C(=O)N

DOS

IR

Vibrations