Geometry & MOs

Info

ID:	74116
PubChem CID:	48421481
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-69.25
Dipole, Da:	4.32
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-[(1-ethylpyrazol-4-yl)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)C(=O)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations