Geometry & MOs

Info

ID:	437833
PubChem CID:	135227119
Reduced:	IOS2N3C25H30 (1)
Stoich.:	ABC2D3E25F30 (1)
Weight, g/mol:	325.0136
ΔH_f, kcal/mol:	15.08
Dipole, Da:	4.06
IP(EA), eV:	-8.21(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-4-(cyclopropylmethoxy)phenyl]sulfanyl-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)SC3CC3)C4=CN(C(=O)C5=C4C=C(N5SI)C)C

DOS

IR

Vibrations