Geometry & MOs

Info

ID:	49256
PubChem CID:	11532368
Reduced:	N2C9H12 (3)
Stoich.:	A2B9C12 (3)
Weight, g/mol:	444.255898
ΔH_f, kcal/mol:	63.04
Dipole, Da:	4.61
IP(EA), eV:	-7.52(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-[5-(2-methylpentan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC2=C(N1)C=CC=C2N3CCN4CCC[C@@H]4C3)[C@H]5CCCC6=C5N=CC=C6

DOS

IR

Vibrations