Geometry & MOs

Info

ID:	443119
PubChem CID:	135257761
Reduced:	SN3O4F5C31H32 (1)
Stoich.:	AB3C4D5E31F32 (1)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	-309.2
Dipole, Da:	4.37
IP(EA), eV:	-9.01(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-cyanophenyl)-N-[(4-cyclohexylphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CCCN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)NO)O)SC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations