Geometry & MOs

Info

ID:	27341
PubChem CID:	820775
Reduced:	NOH5C6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	151.04557
ΔH_f, kcal/mol:	36.53
Dipole, Da:	2.76
IP(EA), eV:	-9.41(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenylethanethioamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N

DOS

IR

Vibrations