Geometry & MOs

Info

ID:	9336
PubChem CID:	88077
Reduced:	SN4O5C25H26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	494.162391
ΔH_f, kcal/mol:	-124.5
Dipole, Da:	9.11
IP(EA), eV:	-8.5(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations