Geometry & MOs

Info

ID:	402010
PubChem CID:	135053851
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	373.04661
ΔH_f, kcal/mol:	-147.3
Dipole, Da:	7.56
IP(EA), eV:	-8.88(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[2-(3-phenylprop-2-ynyl)phenyl]methanimine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H]2[C@@H](NC(=S)O2)C(=O)N3C(=O)OCC3(C)C

DOS

IR

Vibrations