Geometry & MOs

Info

ID:	302800
PubChem CID:	124396104
Reduced:	ClN2O3H19C24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	408.171893
ΔH_f, kcal/mol:	-13.97
Dipole, Da:	3.81
IP(EA), eV:	-8.88(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)/C=C\3/C(=O)NN(C3=O)C4=CC=CC=C4)Cl

DOS

IR

Vibrations