Geometry & MOs

Info

ID:	33563
PubChem CID:	7886993
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	364.102768
ΔH_f, kcal/mol:	-135.33
Dipole, Da:	3.8
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-butan-2-yl]carbamoyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=O)N(C(=O)N(C2=O)CC=C)CC=C)C

DOS

IR

Vibrations