Geometry & MOs

Info

ID:	236875
PubChem CID:	92715233
Reduced:	SO3N5C22H31 (1)
Stoich.:	AB3C5D22E31 (1)
Weight, g/mol:	430.225643
ΔH_f, kcal/mol:	-113.41
Dipole, Da:	6.06
IP(EA), eV:	-8.62(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-6-[(2S,6S)-4-(4-ethylphenyl)-2-(2-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N4CCN(CC4)C)C)C

DOS

IR

Vibrations