Geometry & MOs

Info

ID:	132313
PubChem CID:	51341845
Reduced:	SN4O7C27H36 (1)
Stoich.:	AB4C7D27E36 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-233.43
Dipole, Da:	11.18
IP(EA), eV:	-9.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,3S,4S)-1-diazonio-4-methyl-3-(phenylmethoxycarbonylamino)hex-1-en-2-olate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)N)C

DOS

IR

Vibrations