Geometry & MOs

Info

ID:	244470
PubChem CID:	99355654
Reduced:	ClO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	412.164774
ΔH_f, kcal/mol:	-21.17
Dipole, Da:	9.23
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)CC(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

DOS

IR

Vibrations