Geometry & MOs

Info

ID:	133231
PubChem CID:	51495992
Reduced:	ClOSN4C17H17 (1)
Stoich.:	ABCD4E17F17 (1)
Weight, g/mol:	360.08116
ΔH_f, kcal/mol:	44.84
Dipole, Da:	6.26
IP(EA), eV:	-9.35(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=CS1)NC(=O)C2=C(C=C(C=C2)N3C=NN=C3)Cl

DOS

IR

Vibrations