Geometry & MOs

Info

ID:	133829
PubChem CID:	51596944
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	403.178358
ΔH_f, kcal/mol:	-61.56
Dipole, Da:	2.51
IP(EA), eV:	-9.67(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8-methoxy-N-[(R)-(3-methoxyphenyl)-phenylmethyl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N[C@@H](C)CC[C@@H]2CCCO2

DOS

IR

Vibrations