Geometry & MOs

Info

ID:	132160
PubChem CID:	51314613
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	21.1
Dipole, Da:	7.2
IP(EA), eV:	-9.21(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]amino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1CN2C=CC=N2)N3C(=C)C4=CC=CC=C4C3=O

DOS

IR

Vibrations