Geometry & MOs

Info

ID:	401632
PubChem CID:	135051914
Reduced:	N3O5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	492.123419
ΔH_f, kcal/mol:	-97.54
Dipole, Da:	6.58
IP(EA), eV:	-9.31(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-chlorobenzoyl)-3-(2,2-diethoxyethyl)triazol-4-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NNC2=C(C(OC2=O)C(CO)O)N=O

DOS

IR

Vibrations