Geometry & MOs

Info

ID:	236511
PubChem CID:	92713644
Reduced:	ClN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-125.37
Dipole, Da:	2.66
IP(EA), eV:	-8.46(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC[C@@H](C2)NC(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations