Geometry & MOs

Info

ID:	50004
PubChem CID:	11538720
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	407.113389
ΔH_f, kcal/mol:	39.99
Dipole, Da:	3.91
IP(EA), eV:	-8.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C2=C3N=C(C=C(N3N=C2C)N[C@@H](C)CC4=NOC(=N4)C)C

DOS

IR

Vibrations