Geometry & MOs

Info

ID:	402525
PubChem CID:	135056287
Reduced:	PN2O9C40H79 (1)
Stoich.:	AB2C9D40E79 (1)
Weight, g/mol:	401.803556
ΔH_f, kcal/mol:	-621.43
Dipole, Da:	3.88
IP(EA), eV:	-9.81(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloro-N-[3,5-dichloro-4-(dichloromethylideneamino)phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)[C@H](C)N)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations