Geometry & MOs

Info

ID:	133036
PubChem CID:	51465910
Reduced:	SN2O4C30H30 (1)
Stoich.:	AB2C4D30E30 (1)
Weight, g/mol:	473.05211
ΔH_f, kcal/mol:	-85.6
Dipole, Da:	8.08
IP(EA), eV:	-8.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7S)-5-(4-bromophenyl)-7-(4-methylphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=C(NC3=C([C@H]2C4=CC=CS4)C(=O)C[C@H](C3)C5=CC(=C(C=C5)OC)OC)C

DOS

IR

Vibrations