Geometry & MOs

Info

ID:	340194
PubChem CID:	127262203
Reduced:	O3N7C18H39 (1)
Stoich.:	A3B7C18D39 (1)
Weight, g/mol:	237.019271
ΔH_f, kcal/mol:	-132.28
Dipole, Da:	2.2
IP(EA), eV:	-8.95(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-(1,3-dioxo-1-phenylbutan-2-ylidene)carbamoyl chloride

Drug info:

PubChemData

Smile

C[C@H](CCNCCC(CNC(=O)OCC=O)NCCCCCCN=C(N)N)N

DOS

IR

Vibrations