Geometry & MOs

Info

ID:	313561
PubChem CID:	126615892
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	437.246061
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	5.41
IP(EA), eV:	-9.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-(benzylamino)-1-oxo-4-[5-(trimethyl-lambda4-sulfanyl)-1,2-dihydrotriazol-3-yl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CCN=[N+]=[N-])C(=O)NCC1=CC=CC=C1

DOS

IR

Vibrations