Geometry & MOs

Info

ID:	175736
PubChem CID:	75942645
Reduced:	SCl2N3O4C18H25 (1)
Stoich.:	AB2C3D4E18F25 (1)
Weight, g/mol:	471.248169
ΔH_f, kcal/mol:	-184.9
Dipole, Da:	10.34
IP(EA), eV:	-9.03(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1CCCN(C1)C(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations