Geometry & MOs

Info

ID:	187368
PubChem CID:	77565711
Reduced:	OSN4C16H18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	509.238667
ΔH_f, kcal/mol:	27.02
Dipole, Da:	9.1
IP(EA), eV:	-8.75(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[[2-[[1-(4-cyanobutyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CC2=C(C1)C(=NC3=C2C4=NC=NC(=O)C4S3)N(C)C)C

DOS

IR

Vibrations