Geometry & MOs

Info

ID:	307128
PubChem CID:	125269237
Reduced:	N4O5C25H26 (1)
Stoich.:	A4B5C25D26 (1)
Weight, g/mol:	443.081888
ΔH_f, kcal/mol:	-36.38
Dipole, Da:	2.31
IP(EA), eV:	-8.26(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-4-amino-2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-5H-pyrimidin-5-yl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@@H]2C(=C(O[C@H]3C2=C(N=N3)C4=CC(=C(C=C4)OCC)OC)N)C#N)OC

DOS

IR

Vibrations