Geometry & MOs

Info

ID:	36429
PubChem CID:	8006547
Reduced:	O2N5H11C13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	40.97
Dipole, Da:	2.52
IP(EA), eV:	-9.16(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[1-[1-(2-methoxyethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl]ethylideneamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)C2=CC3=NN=C(N3N=C2)N

DOS

IR

Vibrations