Geometry & MOs

Info

ID:	174536
PubChem CID:	75779764
Reduced:	N3O4C25H36 (1)
Stoich.:	A3B4C25D36 (1)
Weight, g/mol:	435.198535
ΔH_f, kcal/mol:	-114.14
Dipole, Da:	7.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.276439
Charge, e:	1

Chem-info

IUPAC name:

[2-[(4-chloro-2-ethylsulfanylpyrimidine-5-carbonyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-diethylazanium

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=C(OC(=N3)C4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations