Geometry & MOs

Info

ID:	415821
PubChem CID:	135088822
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-17.55
Dipole, Da:	4.89
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CN(C)CC2CN(CCCO2)CC3=CC=CC=C3

DOS

IR

Vibrations