Geometry & MOs

Info

ID:	237005
PubChem CID:	92716748
Reduced:	S2N3O5C19H25 (1)
Stoich.:	A2B3C5D19E25 (1)
Weight, g/mol:	459.168188
ΔH_f, kcal/mol:	-173.08
Dipole, Da:	6.51
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC(=O)NC[C@H]2CCCO2)C3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3

DOS

IR

Vibrations