Geometry & MOs

Info

ID:	245449
PubChem CID:	99444926
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	405.18009
ΔH_f, kcal/mol:	-31.12
Dipole, Da:	2.62
IP(EA), eV:	-9.15(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-nitro-N-(2-phenylethyl)-4-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CCC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=CS4

DOS

IR

Vibrations