Geometry & MOs

Info

ID:	70248
PubChem CID:	48409722
Reduced:	SN2O2C7H10 (2)
Stoich.:	AB2C2D7E10 (2)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	5.69
IP(EA), eV:	-9.3(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=CSC(=C2)S(=O)(=O)N

DOS

IR

Vibrations