Geometry & MOs

Info

ID:	339872
PubChem CID:	127261881
Reduced:	NSO6C9H19 (1)
Stoich.:	ABC6D9E19 (1)
Weight, g/mol:	421.178376
ΔH_f, kcal/mol:	-279.37
Dipole, Da:	2.95
IP(EA), eV:	-9.45(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[amino-[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)N[C@@H](CS)C(=O)O

DOS

IR

Vibrations