Geometry & MOs

Info

ID:	232218
PubChem CID:	87575730
Reduced:	S3N6O18C37H54 (1)
Stoich.:	A3B6C18D37E54 (1)
Weight, g/mol:	158.014999
ΔH_f, kcal/mol:	-766.73
Dipole, Da:	10.96
IP(EA), eV:	-8.54(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1,3-thiazol-2-yl)carbamic acid

Drug info:

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)NC(=S)NCCN(CCNC(=S)N[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CCN=C=S)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations