Geometry & MOs

Info

ID:	302204
PubChem CID:	124360341
Reduced:	SN3O4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	415.102434
ΔH_f, kcal/mol:	-173.17
Dipole, Da:	2.2
IP(EA), eV:	-9.29(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)NC(=O)[C@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations