Geometry & MOs

Info

ID:	391524
PubChem CID:	135006192
Reduced:	NSO5C23H33 (1)
Stoich.:	ABC5D23E33 (1)
Weight, g/mol:	354.209599
ΔH_f, kcal/mol:	-204.33
Dipole, Da:	5.44
IP(EA), eV:	-9.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(benzhydrylamino)-2-(4-tert-butylphenyl)acetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@H](N([C@H]1C(C)C)S(=O)(=O)C2=CC=C(C=C2)C)CC(=O)C(C)(C)C

DOS

IR

Vibrations