Geometry & MOs

Info

ID:	364051
PubChem CID:	127313722
Reduced:	SO4N5C15H19 (1)
Stoich.:	AB4C5D15E19 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	3.76
IP(EA), eV:	-9.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)cyclopentyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations