Geometry & MOs

Info

ID:	45153
PubChem CID:	10508503
Reduced:	N2S3O7C31H46 (1)
Stoich.:	A2B3C7D31E46 (1)
Weight, g/mol:	654.471093
ΔH_f, kcal/mol:	-316.44
Dipole, Da:	6.78
IP(EA), eV:	-8.78(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)[C@@H](/C=C/[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O)/C=C/[C@H](CSSC(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations