Geometry & MOs

Info

ID:	193311
PubChem CID:	78374403
Reduced:	ClO2N4C7H7 (1)
Stoich.:	AB2C4D7E7 (1)
Weight, g/mol:	518.25475
ΔH_f, kcal/mol:	-19.05
Dipole, Da:	2.59
IP(EA), eV:	-10.43(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[benzyl-[(6-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]amino]-2-oxoethyl]-3-chloro-N-(2-methoxyethyl)-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CN1C2=NC(N=C2C(=O)N(C1=O)C)Cl

DOS

IR

Vibrations