Geometry & MOs

Info

ID:	195879
PubChem CID:	78745774
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	370.075406
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	4.23
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=C(C=C2C)C)C)C

DOS

IR

Vibrations