Geometry & MOs

Info

ID:	43993
PubChem CID:	10322784
Reduced:	SN5O6C21H27 (1)
Stoich.:	AB5C6D21E27 (1)
Weight, g/mol:	476.006152
ΔH_f, kcal/mol:	-156.77
Dipole, Da:	12.23
IP(EA), eV:	-8.9(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]pyrimidine

Drug info:

PubChemData

Smile

C[C@@H]1C2C(C(=O)N2C(=C1SC3CN(C3)C4=NC(=CO4)C(=O)N5CCNCC5)C(=O)O)[C@@H](C)O

DOS

IR

Vibrations