Geometry & MOs

Info

ID:	238715
PubChem CID:	92765147
Reduced:	SN3O4C25H35 (1)
Stoich.:	AB3C4D25E35 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	4.73
IP(EA), eV:	-8.4(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC[C@@H](C2)C(=O)NCCCN(CCN3CCOCC3)CC4=CC=CS4

DOS

IR

Vibrations