Geometry & MOs

Info

ID:	33783
PubChem CID:	7888091
Reduced:	OSN2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-23.0
Dipole, Da:	4.99
IP(EA), eV:	-8.84(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@@H](C)C(=O)NC4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations