Geometry & MOs

Info

ID:	137990
PubChem CID:	52296353
Reduced:	SO4N6C19H27 (1)
Stoich.:	AB4C6D19E27 (1)
Weight, g/mol:	395.115107
ΔH_f, kcal/mol:	-87.88
Dipole, Da:	9.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783246
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)CC[N+]4=CNC=C4

DOS

IR

Vibrations