Geometry & MOs

Info

ID:	33769
PubChem CID:	7888029
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-16.59
Dipole, Da:	2.53
IP(EA), eV:	-8.56(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2R)-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=CC=C4OC

DOS

IR

Vibrations