Geometry & MOs

Info

ID:	310065
PubChem CID:	126573547
Reduced:	N3O6C28H47 (1)
Stoich.:	A3B6C28D47 (1)
Weight, g/mol:	555.25154
ΔH_f, kcal/mol:	-227.1
Dipole, Da:	7.75
IP(EA), eV:	-9.04(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[6-(3,5-dimethoxyphenyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]propyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)CC1CN(C1)C(=O)OC2CCC3(CO3)C(C2OC)[C@@]4([C@H](O4)CC=C(C)C)C

DOS

IR

Vibrations