Geometry & MOs

Info

ID:	417329
PubChem CID:	135092264
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	5.63
IP(EA), eV:	-8.86(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CC3=CSC=C3)OCC1

DOS

IR

Vibrations