Geometry & MOs

Info

ID:	33212
PubChem CID:	7885416
Reduced:	SN4O4C19H20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	2.63
IP(EA), eV:	-8.98(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC(=O)NCC4=CC=CO4

DOS

IR

Vibrations