Geometry & MOs

Info

ID:	15564
PubChem CID:	444386
Reduced:	SN3O8C13H22 (1)
Stoich.:	AB3C8D13E22 (1)
Weight, g/mol:	380.112761
ΔH_f, kcal/mol:	-349.71
Dipole, Da:	4.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755771
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-carboxy-4-[[(2R)-1-(carboxymethylamino)-3-[(2R)-2-hydroxypropanoyl]sulfanyl-1-oxopropan-2-yl]amino]-4-oxobutyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])O

DOS

IR

Vibrations