Geometry & MOs

Info

ID:	192923
PubChem CID:	78325483
Reduced:	Cl3N3O3C14H18 (1)
Stoich.:	A3B3C3D14E18 (1)
Weight, g/mol:	535.284635
ΔH_f, kcal/mol:	-162.13
Dipole, Da:	1.82
IP(EA), eV:	-10.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl-[(4-methylphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CC2CC1CC2C(=O)NC(C(Cl)(Cl)Cl)N3CCC(=O)NC3=O

DOS

IR

Vibrations