Geometry & MOs

Info

ID:	387130
PubChem CID:	134984103
Reduced:	ClNOS2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	309.01821
ΔH_f, kcal/mol:	-53.6
Dipole, Da:	4.26
IP(EA), eV:	-8.46(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-3-deuterio-3-(4-nitrophenyl)-1-phenylaziridine

Drug info:

PubChemData

Smile

CC(C)(C)SC(=O)[C@H]([C@H](C1=CC=C(C=C1)SC)N)Cl

DOS

IR

Vibrations