Geometry & MOs

Info

ID:	27866
PubChem CID:	823941
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-2.11
Dipole, Da:	5.28
IP(EA), eV:	-8.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=CN=CC=C2

DOS

IR

Vibrations