Geometry & MOs

Info

ID:	416298
PubChem CID:	135089311
Reduced:	O5N7C34H45 (1)
Stoich.:	A5B7C34D45 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-172.82
Dipole, Da:	12.52
IP(EA), eV:	-8.71(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)CCN2C(=NC3=CC=CC=C32)C)CC4=CC=CC=C4)C)C(C)C

DOS

IR

Vibrations