Geometry & MOs

Info

ID:	437853
PubChem CID:	135227192
Reduced:	N8C39H78 (1)
Stoich.:	A8B39C78 (1)
Weight, g/mol:	387.0104
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	5.26
IP(EA), eV:	-8.48(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-(4,4-difluorocyclohexyl)oxyphenyl]sulfanylcyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)N(CCCCCCN(C1CC(NC(C1)(C)C)(C)C)/C(=N/C(=NC(C)(C)C(C)(C)C)N)/N=C(C)C)C2CC(NC(C2)(C)C)(C)C

DOS

IR

Vibrations