Geometry & MOs

Info

ID:	217412
PubChem CID:	85087777
Reduced:	PSN3O6C12H16 (1)
Stoich.:	ABC3D6E12F16 (1)
Weight, g/mol:	361.136174
ΔH_f, kcal/mol:	-276.17
Dipole, Da:	5.95
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-cyclopropyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]-N-hydroxyformamide

Drug info:

PubChemData

Smile

CC#CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)OP(=S)(O)O

DOS

IR

Vibrations