Geometry & MOs

Info

ID:	309946
PubChem CID:	126569294
Reduced:	SN5O9C18H29 (1)
Stoich.:	AB5C9D18E29 (1)
Weight, g/mol:	342.109483
ΔH_f, kcal/mol:	-346.73
Dipole, Da:	7.52
IP(EA), eV:	-9.81(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-chloro-5-nitropyrimidin-4-yl)amino]-1-methylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O

DOS

IR

Vibrations