Geometry & MOs

Info

ID:	213163
PubChem CID:	81063103
Reduced:	NOSC12H27 (1)
Stoich.:	ABCD12E27 (1)
Weight, g/mol:	299.105211
ΔH_f, kcal/mol:	-80.85
Dipole, Da:	2.99
IP(EA), eV:	-8.81(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CCC(C)CCS

DOS

IR

Vibrations