Geometry & MOs

Info

ID:	134563
PubChem CID:	51714542
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	6.45
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(4-tert-butylphenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C([C@@H](NC(=S)N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations