Geometry & MOs

Info

ID:	424798
PubChem CID:	135123966
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	577.30529
ΔH_f, kcal/mol:	-71.98
Dipole, Da:	3.07
IP(EA), eV:	-8.86(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]-2,2-dimethyl-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](C3=CC(=C(S3)C)CO)C(C)(C)C(=O)OC)C)N=N1

DOS

IR

Vibrations