Geometry & MOs

Info

ID:	18978
PubChem CID:	551961
Reduced:	SN4O4C14H14 (1)
Stoich.:	AB4C4D14E14 (1)
Weight, g/mol:	334.073576
ΔH_f, kcal/mol:	-20.22
Dipole, Da:	7.81
IP(EA), eV:	-9.28(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-yl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=NC(=NC=C1)SCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations