Geometry & MOs

Info

ID:	302759
PubChem CID:	124394635
Reduced:	ClNSO7H16C19 (1)
Stoich.:	ABCD7E16F19 (1)
Weight, g/mol:	485.165224
ΔH_f, kcal/mol:	-217.78
Dipole, Da:	4.8
IP(EA), eV:	-9.01(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(1S)-1-[4-ethyl-5-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC=C(O3)C(=O)OC)Cl)O

DOS

IR

Vibrations