Geometry & MOs

Info

ID:	335894
PubChem CID:	127254756
Reduced:	N4O4H18C23 (1)
Stoich.:	A4B4C18D23 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	-52.17
Dipole, Da:	2.46
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(1H-indol-4-yl)-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)NC(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations