Geometry & MOs

Info

ID:	282493
PubChem CID:	103928923
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	-64.65
Dipole, Da:	1.53
IP(EA), eV:	-8.76(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3,3-dimethyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)NC1=CN(N=C1)CCOC)N

DOS

IR

Vibrations