Geometry & MOs

Info

ID:	36280
PubChem CID:	8000490
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-64.12
Dipole, Da:	4.27
IP(EA), eV:	-9.44(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N[C@H]2CCC[C@H]([C@H]2C)C

DOS

IR

Vibrations