Geometry & MOs

Info

ID:	394982
PubChem CID:	135024353
Reduced:	SN3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	453.96022
ΔH_f, kcal/mol:	85.67
Dipole, Da:	3.45
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-bromophenyl)-2-[(R)-(4-bromophenyl)-hydroxymethyl]-1-cyclopropyl-3-hydroxypropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NN12)C)C3=CC=CC=C3

DOS

IR

Vibrations