Geometry & MOs

Info

ID:	167580
PubChem CID:	74846741
Reduced:	N3O4C30H41 (1)
Stoich.:	A3B4C30D41 (1)
Weight, g/mol:	519.253335
ΔH_f, kcal/mol:	-155.73
Dipole, Da:	5.37
IP(EA), eV:	-9.06(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(3-fluorophenyl)carbamoyl-prop-2-enylamino]-N-[(6-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C(=CO2)CN(CC3=CC=CC=C3)C(=O)CN(CC=C)C(=O)NC4CCCCC4

DOS

IR

Vibrations